Vitas-M small molecule compound
N-[2-(2-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Catalog ID
STK558788
SMILES CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)Br)S)[nH]c2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19BrN4O3S MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O3S/c1-13(29)25-11-10-17-16-4-2-3-5-19(16)26-20(17)12-18-21(30)27-23(32)28(22(18)31)15-8-6-14(24)7-9-15/h2-9,12,26H,10-11H2,1H3,(H,25,29)(H,27,30,32)/b18-12-InChIKey
PXSIKOFRONSQFB-PDGQHHTCSA-NSynonyms
CC(=O)NCCC1=C(NC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
CC(=O)NCCc1c(C=C2C(=O)N=C(N(C2=O)c2ccc(cc2)Br)S)(nH)c2c1cccc2
InChI=1SC23H19BrN4O3Sc113(29)2511101716423519(16)2620(17)121821(30)2723(32)28(22(18)31)158614(24)7915h291226H1011H21H3(H2529)(H273032)b1812
MFCD04074958
N(2(2((Z)(1(4bromophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol3yl)ethyl)acetamide
N(2(2((Z)(1(4BROMOPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOL3YL)ETHYL)ACETAMIDE
ZINC000002429532
ZINC02429532
ZINC17195289
ZINC2429532
Check stock
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Check stock on Vitas-MAvailable files
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